N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol

C94H111Cl2F12IN12O18 — CID 163691921

About N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol

N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol (PubChem CID 163691921) has the molecular formula C94H111Cl2F12IN12O18 and a molecular weight of 2122.77 g/mol. Its IUPAC name is N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol.

Molecular Properties

• Compound Name: N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol
• PubChem CID: 163691921
• Molecular Formula: C94H111Cl2F12IN12O18
• Molecular Weight: 2122.77 g/mol
• Exact Mass: 2120.64
• IUPAC Name: N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol
• SMILES: CC(C)(C)OC(=O)Nc1cc(CC(NC(=O)C2CCCC2)C(=O)CCl)ccn1.CC(C)(C)OC(=O)Nc1cc(CC(NC(=O)C2CCCC2)C(=O)COc2c(F)c(F)cc(F)c2F)ccn1.COC(=O)C(Cc1ccnc(NC(=O)OC(C)(C)C)c1)NC(=O)C1CCCC1.ClCI.Nc1cc(CC(NC(=O)C2CCCC2)C(=O)COc2c(F)c(F)cc(F)c2F)ccn1.Oc1c(F)c(F)cc(F)c1F
• InChI: InChI=1S/C26H29F4N3O5.C21H21F4N3O3.C20H28ClN3O4.C20H29N3O5.C6H2F4O.CH2ClI/c1-26(2,3)38-25(36)33-20-11-14(8-9-31-20)10-18(32-24(35)15-6-4-5-7-15)19(34)13-37-23-21(29)16(27)12-17(28)22(23)30;22-13-9-14(23)19(25)20(18(13)24)31-10-16(29)15(7-11-5-6-27-17(26)8-11)28-21(30)12-3-1-2-4-12;1-20(2,3)28-19(27)24-17-11-13(8-9-22-17)10-15(16(25)12-21)23-18(26)14-6-4-5-7-14;1-20(2,3)28-19(26)23-16-12-13(9-10-21-16)11-15(18(25)27-4)22-17(24)14-7-5-6-8-14;7-2-1-3(8)5(10)6(11)4(2)9;2-1-3/h8-9,11-12,15,18H,4-7,10,13H2,1-3H3,(H,32,35)(H,31,33,36);5-6,8-9,12,15H,1-4,7,10H2,(H2,26,27)(H,28,30);8-9,11,14-15H,4-7,10,12H2,1-3H3,(H,23,26)(H,22,24,27);9-10,12,14-15H,5-8,11H2,1-4H3,(H,22,24)(H,21,23,26);1,11H;1H2
• InChIKey: JTRNBZIYTIVGCZ-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 425.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2122.77
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol?

The IUPAC name of N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol (CID 163691921) is N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol.

What is the SMILES notation for N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol?

The canonical SMILES for N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol is CC(C)(C)OC(=O)Nc1cc(CC(NC(=O)C2CCCC2)C(=O)CCl)ccn1.CC(C)(C)OC(=O)Nc1cc(CC(NC(=O)C2CCCC2)C(=O)COc2c(F)c(F)cc(F)c2F)ccn1.COC(=O)C(Cc1ccnc(NC(=O)OC(C)(C)C)c1)NC(=O)C1CCCC1.ClCI.Nc1cc(CC(NC(=O)C2CCCC2)C(=O)COc2c(F)c(F)cc(F)c2F)ccn1.Oc1c(F)c(F)cc(F)c1F.

What is the InChIKey of N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol?

The InChIKey is JTRNBZIYTIVGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F4N3O5.C21H21F4N3O3.C20H28ClN3O4.C20H29N3O5.C6H2F4O.CH2ClI/c1-26(2,3)38-25(36)33-20-11-14(8-9-31-20)10-18(32-24(35)15-6-4-5-7-15)19(34)13-37-23-21(29)16(27)12-17(28)22(23)30;22-13-9-14(23)19(25)20(18(13)24)31-10-16(29)15(7-11-5-6-27-17(26)8-11)28-21(30)12-3-1-2-4-12;1-20(2,3)28-19(27)24-17-11-13(8-9-22-17)10-15(16(25)12-21)23-18(26)14-6-4-5-7-14;1-20(2,3)28-19(26)23-16-12-13(9-10-21-16)11-15(18(25)27-4)22-17(24)14-7-5-6-8-14;7-2-1-3(8)5(10)6(11)4(2)9;2-1-3/h8-9,11-12,15,18H,4-7,10,13H2,1-3H3,(H,32,35)(H,31,33,36);5-6,8-9,12,15H,1-4,7,10H2,(H2,26,27)(H,28,30);8-9,11,14-15H,4-7,10,12H2,1-3H3,(H,23,26)(H,22,24,27);9-10,12,14-15H,5-8,11H2,1-4H3,(H,22,24)(H,21,23,26);1,11H;1H2.

What are the key properties of N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol?

N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol has a molecular weight of 2122.77 g/mol, XLogP of 17.78, 30 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-amino-4-pyridinyl)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]cyclopentanecarboxamide;tert-butyl N-[4-[4-chloro-2-(cyclopentanecarbonylamino)-3-oxobutyl]-2-pyridinyl]carbamate;tert-butyl N-[4-[2-(cyclopentanecarbonylamino)-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]-2-pyridinyl]carbamate;chloro(iodo)methane;methyl 2-(cyclopentanecarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate;2,3,5,6-tetrafluorophenol is sourced from PubChem (CID 163691921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).